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Chlorine in PDB 6xyd: Crystal Structure of Q4D6Q6, A Conserved Kinetoplastid-Specific Protein From Trypanosoma Cruzi

Protein crystallography data

The structure of Crystal Structure of Q4D6Q6, A Conserved Kinetoplastid-Specific Protein From Trypanosoma Cruzi, PDB code: 6xyd was solved by Y.Roske, U.Heinemann, E.D.Andrea, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 37.07 / 1.81
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 66.213, 44.771, 68.654, 90.00, 93.40, 90.00
R / Rfree (%) 18.3 / 21.6

Other elements in 6xyd:

The structure of Crystal Structure of Q4D6Q6, A Conserved Kinetoplastid-Specific Protein From Trypanosoma Cruzi also contains other interesting chemical elements:

Magnesium (Mg) 2 atoms
Sodium (Na) 1 atom

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of Q4D6Q6, A Conserved Kinetoplastid-Specific Protein From Trypanosoma Cruzi (pdb code 6xyd). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the Crystal Structure of Q4D6Q6, A Conserved Kinetoplastid-Specific Protein From Trypanosoma Cruzi, PDB code: 6xyd:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in 6xyd

Go back to Chlorine Binding Sites List in 6xyd
Chlorine binding site 1 out of 3 in the Crystal Structure of Q4D6Q6, A Conserved Kinetoplastid-Specific Protein From Trypanosoma Cruzi


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of Q4D6Q6, A Conserved Kinetoplastid-Specific Protein From Trypanosoma Cruzi within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl201

b:49.2
occ:1.00
N A:ARG99 4.0 17.8 1.0
N B:ARG99 4.1 19.0 1.0
N C:ARG99 4.1 19.2 1.0
MG B:MG201 4.1 18.1 1.0
N D:ARG99 4.2 20.1 1.0
CA A:ILE98 4.2 15.0 1.0
CA C:ILE98 4.2 16.1 1.0
CA B:ILE98 4.2 15.1 1.0
CA D:ILE98 4.3 16.9 1.0
O C:SER97 4.6 14.8 1.0
O A:SER97 4.6 13.7 1.0
C A:ILE98 4.6 19.0 1.0
O B:SER97 4.6 14.1 1.0
O D:SER97 4.6 15.3 1.0
C C:ILE98 4.6 20.2 1.0
C B:ILE98 4.6 21.2 1.0
CB B:ILE98 4.7 19.1 1.0
CB C:ILE98 4.7 20.4 1.0
CG2 B:ILE98 4.7 20.8 1.0
CB A:ILE98 4.7 19.6 1.0
CG2 C:ILE98 4.7 21.0 1.0
O B:ARG99 4.7 26.8 1.0
C D:ILE98 4.7 21.4 1.0
O A:ARG99 4.8 26.9 1.0
CG2 A:ILE98 4.8 20.0 1.0
CB D:ILE98 4.8 21.8 1.0
O C:ARG99 4.8 23.3 1.0
CG2 D:ILE98 4.8 21.3 1.0
O D:ARG99 4.9 26.9 1.0

Chlorine binding site 2 out of 3 in 6xyd

Go back to Chlorine Binding Sites List in 6xyd
Chlorine binding site 2 out of 3 in the Crystal Structure of Q4D6Q6, A Conserved Kinetoplastid-Specific Protein From Trypanosoma Cruzi


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structure of Q4D6Q6, A Conserved Kinetoplastid-Specific Protein From Trypanosoma Cruzi within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl202

b:13.4
occ:1.00
MG B:MG201 2.9 18.1 1.0
N D:SER97 3.4 12.1 1.0
N B:SER97 3.5 11.4 1.0
N C:SER97 3.5 11.2 1.0
N A:SER97 3.5 11.9 1.0
CA D:ASN96 3.7 10.9 1.0
CA C:ASN96 3.7 12.1 1.0
CA A:ASN96 3.7 10.8 1.0
CA B:ASN96 3.7 12.0 1.0
O B:SER97 3.8 14.1 1.0
O C:SER97 3.8 14.8 1.0
O A:SER97 3.8 13.7 1.0
O D:SER97 3.8 15.3 1.0
CB D:ASN96 3.9 12.8 1.0
CB C:ASN96 4.0 11.9 1.0
CB B:ASN96 4.0 10.8 1.0
CB A:ASN96 4.0 13.4 1.0
C D:ASN96 4.0 15.9 1.0
C A:ASN96 4.1 15.5 1.0
C B:ASN96 4.1 15.1 1.0
C C:ASN96 4.1 16.0 1.0
OG A:SER97 4.1 17.5 0.5
OG B:SER97 4.2 21.9 0.5
OG D:SER97 4.2 27.6 0.5
CA B:SER97 4.5 11.4 0.5
CA B:SER97 4.5 11.8 0.5
CA C:SER97 4.5 11.9 0.5
CA C:SER97 4.5 11.7 0.5
CA A:SER97 4.5 11.8 0.5
CA D:SER97 4.5 11.9 0.5
CA D:SER97 4.5 11.9 0.5
CA A:SER97 4.5 11.6 0.5
C B:SER97 4.6 16.3 1.0
C C:SER97 4.6 16.7 1.0
C A:SER97 4.6 15.7 1.0
C D:SER97 4.6 16.6 1.0
MG A:MG204 4.6 16.5 1.0
O D:SER95 4.8 14.5 1.0
O C:SER95 4.8 14.2 1.0
O B:SER95 4.8 12.7 1.0
O A:SER95 4.8 11.4 1.0
CB A:SER97 4.8 15.1 0.5
CB C:SER97 4.8 16.4 0.5
CB B:SER97 4.9 14.3 0.5
CB C:SER97 4.9 15.5 0.5
CB A:SER97 4.9 14.0 0.5
CB B:SER97 4.9 15.7 0.5
CB D:SER97 4.9 15.4 0.5
N D:ASN96 4.9 11.9 1.0
CB D:SER97 4.9 15.3 0.5
N A:ASN96 4.9 9.7 1.0
N B:ASN96 5.0 12.1 1.0
N C:ASN96 5.0 12.8 1.0

Chlorine binding site 3 out of 3 in 6xyd

Go back to Chlorine Binding Sites List in 6xyd
Chlorine binding site 3 out of 3 in the Crystal Structure of Q4D6Q6, A Conserved Kinetoplastid-Specific Protein From Trypanosoma Cruzi


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Crystal Structure of Q4D6Q6, A Conserved Kinetoplastid-Specific Protein From Trypanosoma Cruzi within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl203

b:17.2
occ:1.00
MG A:MG204 2.6 16.5 1.0
N C:SER95 3.4 10.3 1.0
N A:SER95 3.5 12.7 1.0
N D:SER95 3.5 13.3 1.0
N B:SER95 3.6 11.9 1.0
O C:SER95 3.6 14.2 1.0
O A:SER95 3.6 11.4 1.0
O D:SER95 3.6 14.5 1.0
O B:SER95 3.7 12.7 1.0
CA C:ALA94 3.7 12.7 1.0
CA A:ALA94 3.7 13.3 1.0
CA D:ALA94 3.8 15.6 1.0
CA B:ALA94 3.8 15.4 1.0
CB A:ALA94 4.0 14.2 1.0
CB B:ALA94 4.0 15.9 1.0
CB C:ALA94 4.0 12.8 1.0
CB D:ALA94 4.1 15.4 1.0
C C:ALA94 4.1 14.8 1.0
C A:ALA94 4.1 15.9 1.0
C D:ALA94 4.1 17.5 1.0
C B:ALA94 4.2 17.6 1.0
C C:SER95 4.4 13.6 1.0
CA C:SER95 4.5 9.6 1.0
C A:SER95 4.5 13.2 1.0
CA A:SER95 4.5 10.5 1.0
CA D:SER95 4.5 11.3 1.0
C D:SER95 4.5 12.8 1.0
C B:SER95 4.5 15.4 1.0
OG B:SER95 4.6 21.5 0.5
CA B:SER95 4.6 11.4 0.5
CA B:SER95 4.6 12.3 0.5
NA A:NA205 4.7 19.6 1.0
O C:ARG93 4.7 16.6 1.0
O B:ARG93 4.8 16.1 1.0
O D:ARG93 4.8 21.0 1.0
O A:ARG93 4.8 15.9 1.0
CB D:SER95 4.9 13.6 1.0
CB C:SER95 4.9 11.7 1.0
CB A:SER95 4.9 12.8 1.0
N C:ALA94 4.9 13.3 1.0
N A:ALA94 5.0 13.8 1.0
N D:ALA94 5.0 16.8 1.0
N B:ALA94 5.0 16.6 1.0

Reference:

E.Dias D'andrea, Y.Roske, G.A.P.De Oliveira, N.Cremer, A.Diehl, P.Schmieder, U.Heinemann, H.Oschkinat, J.Ricardo Pires. Crystal Structure of Q4D6Q6, A Conserved Kinetoplastid-Specific Protein From Trypanosoma Cruzi. J.Struct.Biol. 07536 2020.
ISSN: ESSN 1095-8657
PubMed: 32473201
DOI: 10.1016/J.JSB.2020.107536
Page generated: Sat Jul 12 21:50:53 2025

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